Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.
In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.
Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.
Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.
General Information |
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Catalog: BLP-001662 |
CAS: 2044276-17-5 |
Molecular Formula: C26H39D4NO5 |
Molecular Weight: 453.65 |
Chemical Structure |
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Description | Glycoursodeoxycholic acid-[2,2,4,4-d4] is the labelled analogue of Glycoursodeoxycholic Acid. Glycoursodeoxycholic Acid is a bile acid-glycine conjugate produced in the metabolism of ursodeoxycholic acid. It can be used as an anticholelithogenic. |
Synonyms | Glycoursodeoxycholic acid-2,2,4,4-d4; N-[(3α,5β,7β))-3,7-dihydroxy-24-oxocholan-24-yl]Glycine-d4; 3α,7β-Dihydroxy-5β-cholanoylglycine-d4; Glycylursodeoxycholic Acid-d4; N-(3α,7β-Dihydroxy-5β-cholan-24-oyl)glycine-d4; N-[(3α,5β,7β)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine-d4; Ursodeoxycholylglycine-d4; Glycoursodiol-d4; Glycoursodeoxycholic Acid-d4; Glycoursodeoxycholic-2,2,4,4-d4 acid |
IUPAC Name | 2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid |
Related CAS | 64480-66-6 (unlabelled) 92411-07-9 (unlabelled sodium) |
Canonical SMILES | CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C |
InChI | InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21+,24+,25+,26-/m1/s1/i8D2,12D2 |
InChI Key | GHCZAUBVMUEKKP-ODDJOPSVSA-N |
Melting Point | >221°C (dec.) |
Purity | ≥97%; ≥98% atom D |
Solubility | Soluble in Methanol (100 μg/mL); Slightly soluble in DMSO, Ethanol (Heated, Sonicated), Methanol |
Appearance | White Solid |
Shelf Life | 1 Year |
Storage | Store at -20°C |
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